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PUBCHEM-ZINC02034015

 MMsINC code: MMs02860377
Type: Neutral
Formula: C7H7ClO
SMILES:   ClCc1cc(O)ccc1
InChI:   InChI=1/C7H7ClO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.6115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.585 g/mol  logS: -1.76177  SlogP: 2.3974  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.065448  Sterimol/B1: 2.29535  Sterimol/B2: 2.52098  Sterimol/B3: 3.58585
  Sterimol/B4: 5.17548  Sterimol/L: 9.29871 
 
 Surface and Volume Properties
  Accessible surface: 316.524  Positive charged surface: 158.629  Negative charged surface: 157.895  Volume: 132.5
  Hydrophobic surface: 185.525  Hydrophilic surface: 130.999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.